4ODF
Co-Crystal Structure of MDM2 with Inhibitor Compound 47
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 44.211, 44.211, 208.882 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.814 - 2.201 |
| R-factor | 0.2635 |
| Rwork | 0.262 |
| R-free | 0.30480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.193 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.180 | 0.082 | 0.879 |
| Number of reflections | 6540 | ||
| <I/σ(I)> | 4.8 | ||
| Completeness [%] | 93.2 | 93 | 84.8 |
| Redundancy | 7 | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.8-1.8M Ammonium Sulfate, 0.1M sodium Citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
